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Dexrazoxane
CAS: 24584-09-6 | C11H16N4O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24584-09-6
Molecular Formula:
C11H16N4O4
Molecular Mass:
268.27 g/mol
Names and Synonyms:
Dexrazoxane
2,6-Piperazinedione, 4,4′-[(1S)-1-methyl-1,2-ethanediyl]bis-
2,6-Piperazinedione, 4,4′-propylenedi-, (+)-
2,6-Piperazinedione, 4,4′-(1-methyl-1,2-ethanediyl)bis-, (S)-
4,4′-[(1S)-1-Methyl-1,2-ethanediyl]bis[2,6-piperazinedione]
(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane
ICRF 187
NSC 169780
(S)-(+)-1,2-Bis(3,5-dioxopiperazin-1-yl)propane
Dexrazoxane
ADR 529
(S)-4,4′-(Propane-1,2-diyl)bis(piperazine-2,6-dione)
Identifiers:
SMILES:
C[C@@H](CN1CC(=O)N=C(O)C1)N1CC(=O)N=C(O)C1
InChI:
InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1
Key Properties
Melting Point
193 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 268.27 g/mol | CAS Common Chemistry |
| 268.273 g/mol | RDKit | |
| 268.117154992 g/mol | RDKit | |
| Canonical SMILES | O=C1NC(=O)CN(C1)CC(N2CC(=O)NC(=O)C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BMKDZUISNHGIBY-ZETCQYMHSA-N | CAS Common Chemistry |
| Melting Point | 193 °C | CAS Common Chemistry |
| Name | Dexrazoxane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 105.80000000000001 Ų | RDKit |
| LogP | -1.027699999999998 | RDKit |
| Molar Refractivity | 67.61660000000002 | RDKit |
